Known targets — ChEMBL curated mechanism
GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BM
The experimentally established mechanism targets of Amantadine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D known ✓ | O15399 | 2/20 | 0.34 |
| ▸ | GRIN3B known ✓ | O60391 | 2/20 | 0.34 |
| ▸ | GRIN1 known ✓ | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2A known ✓ | Q12879 | 2/20 | 0.34 |
| ▸ | GRIN2B known ✓ | Q13224 | 2/20 | 0.34 |
| ▸ | GRIN2C known ✓ | Q14957 | 2/20 | 0.34 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | STAT6 | P42226 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Guanidine SCHEMBL4196962 | 0.83 | TDP1 (0.46) | CYP11B1CYP11B2LMNASMN1; SMN2STAT6 | |
| SCHEMBL222667 | 0.74 | TDP1 (0.54) | CYP11B1CYP11B2LMNASMN1; SMN2STAT6 | |
| Water SCHEMBL6097684 | 0.73 | TDP1 (0.52) | CYP11B1CYP11B2LMNASMN1; SMN2STAT6 | |
| Pyrimidine SCHEMBL5798167 | 0.69 | TDP1 (0.44) | CYP11B1CYP11B2LMNASMN1; SMN2STAT6 | |
| SCHEMBL24329965 | 0.68 | CYP11B1 (0.57) | CYP11B1CYP11B2DDB1CRBNIKZF3 | |
| SCHEMBL31321057 | 0.68 | CYP11B1 (0.57) | CYP11B1CYP11B2DDB1CRBNIKZF3 | |
| Sulfuric Acid SCHEMBL16346886 | 0.67 | TDP1 (0.46) | LMNASMN1; SMN2STAT6TSHRUSP2 | |
| SCHEMBL2546299 | 0.65 | CYP11B1 (0.54) | CYP11B1CYP11B2LMNASMN1; SMN2USP2 | |
| SCHEMBL5469156 | 0.64 | SMN1; SMN2 (0.54) | LMNASMN1; SMN2STAT6TDP1FGFR1 | |
| Methane SCHEMBL8371468 | 0.62 | SMN1; SMN2 (0.53) | LMNASMN1; SMN2STAT6TDP1FGFR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0857018-B1 | BETULINIC ACID DERIVATIVES AND USES THEREFOR | UNIV NORTH CAROLINA (US) | 2004-09-15 | — | — | EP | claimed |
| EP-1397957-A2 | Betulinic acid derivatives and uses therefor | The University of North Carolina at Chapel Hill (US) | 2004-03-17 | — | — | EP | claimed |
| EP-0857018-A4 | BETULINIC ACID DERIVATIVES AND USES THEREFOR | UNIV NORTH CAROLINA (US) | 2002-10-23 | — | — | EP | claimed |
| EP-0857018-A1 | BETULINIC ACID DERIVATIVES AND USES THEREFOR | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1998-08-12 | — | — | EP | claimed |
| WO-1996039033-A1 | BETULINIC ACID DERIVATIVES AND USES THEREFOR | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1996-12-12 | — | — | WO | claimed |